Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1)
TL;DR: Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1) (CAS 22973-05-3) is a chemical compound with molecular formula C24H28ClNO7S and molecular weight 509.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-chlorophenyl)sulfinylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1), ISOQUINOLINE, 1-(2-((p-CHLOROPHENYL)SULFINYL)ETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMET, 1-[2-(4-chlorophenyl)sulfinylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium; (E)-4-hydroxy-4-oxobut-2-enoate, Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate, RefChem:1087759
| Molecular Formula | C24H28ClNO7S |
|---|---|
| Molecular Weight | 509.13 g/mol |
| LogP | 1.0441 |
| Topological Polar Surface Area | 117.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.1275 |
| Heavy Atoms | 34 |
| Complexity | 1040.0321 |
Chemical Identifiers
| CAS Number | 22973-05-3 |
|---|---|
| SMILES | C[NH+]1CCC2=CC(=C(C=C2C1CCS(=O)C3=CC=C(C=C3)Cl)OC)OC.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1) (CAS 22973-05-3), with molecular formula C24H28ClNO7S and molecular weight 509.13 g/mol. IUPAC: 1-[2-(4-chlorophenyl)sulfinylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1)
Property Insights of Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1)
The XLogP value of 1.0441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1). The TPSA of 117.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1). Following Lipinski's Rule of Five, Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1)?
The CAS number of Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1) is 22973-05-3.
What is the molecular formula of Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1)?
The molecular formula of Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1) is C24H28ClNO7S.
What is the molecular weight of Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1)?
The molecular weight of Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1) is 509.13 g/mol.
Where can I buy Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1)?
You can request a quote for Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1-(2-((p-chlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.